(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 2-methylsulfonylbenzoate

Systemtic Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 2-methylsulfonylbenzoate Openeye Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 2-methylsulfonylbenzoate CAS Name: 2-methylsulfonylbenzoic acid (4-cyano-5-methyl-2-phenyl-3-pyrazolyl)methyl ester IUPAC Name: (4-cyano-5-methyl-2-phenylpyrazol-3-yl)methyl 2-methylsulfonylbenzoate Traditional Name: 2-mesylbenzoic acid (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl ester Formula: C20H17N3O4S MolecularWeight: 395.43168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)COC(=O)C2=CC=CC=C2S(=O)(=O)C)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C#N)COC(=O)C2=CC=CC=C2S(=O)(=O)C)C3=CC=CC=C3

InChI

InChI=1S/C20H17N3O4S/c1-14-17(12-21)18(23(22-14)15-8-4-3-5-9-15)13-27-20(24)16-10-6-7-11-19(16)28(2,25)26/h3-11H,13H2,1-2H3